CHEMBL4085033
| SMILES | NC(=O)[C@@H]1CC(=O)NCCCC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC(CC2)C(=O)N1 |
| InChIKey | BLMCHRRNFLXLBF-PUHABZHSSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 663.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| δ | OPRD | Human | Opioid | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 5.26 | 5.26 | 5.26 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 8.94 | 8.94 | 8.94 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |